chempirical

trans-2-Octene

C8H16CAS 13389-42-9112.22 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C8H16
Molar mass
112.22 g/mol
Exact mass
112.1252 Da
Density
0.741 g/mL (at 0 °C)
Melting point
−87.7 °C
Boiling point
125 °C
logP
3.14Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
13389-42-9
SMILES
C/C=C/CCCCC
InChIKey
ILPBINAXDRFYPL-HWKANZROSA-N
InChI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • 2-Octene, (2E)-
  • 2-Octene, (E)-
  • 2-Octene, trans-
  • (2E)-2-Octene
  • (E)-2-Octene
  • β-trans-Octene
  • NSC 97522

Work with trans-2-Octene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2E)-2-Nonene6434-78-294 % similar 2-Heptene592-77-883 % similar cis-2-Heptene6443-92-183 % similar (Z)-9-Tricosene27519-02-468 % similar trans-2-Hexene4050-45-763 % similar 2-Hexene592-43-863 % similar (3E)-3-Nonene20063-92-759 % similar (5E)-5-Decene7433-56-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4,4-Trimethyl-1-pentene107-39-1 2,4,4-Trimethyl-2-pentene107-40-4 Isooctene11071-47-9 1-Octene111-66-0 2-Octene111-67-1 trans-4-Octene14850-23-8 trans-3-Octene14919-01-8 2-Methyl-1-heptene15870-10-7

Elsewhere

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